3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide

C17H15BrN2O4S — CID 30338040

IUPAC3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)NCc2coc(-c3cccs3)n2)c1
InChIInChI=1S/C17H15BrN2O4S/c1-22-11-6-12(15(23-2)13(18)7-11)16(21)19-8-10-9-24-17(20-10)14-4-3-5-25-14/h3-7,9H,8H2,1-2H3,(H,19,21)
InChIKeyDTXVAUIBUFWRCW-UHFFFAOYSA-N
MW423.29 g/mol
LogP4.11
Rot. Bonds6

About 3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide

3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide (PubChem CID 30338040) has the molecular formula C17H15BrN2O4S and a molecular weight of 423.29 g/mol. Its IUPAC name is 3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
PubChem CID30338040
Molecular FormulaC17H15BrN2O4S
Molecular Weight423.29 g/mol
Exact Mass421.99
IUPAC Name3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)NCc2coc(-c3cccs3)n2)c1
InChIInChI=1S/C17H15BrN2O4S/c1-22-11-6-12(15(23-2)13(18)7-11)16(21)19-8-10-9-24-17(20-10)14-4-3-5-25-14/h3-7,9H,8H2,1-2H3,(H,19,21)
InChIKeyDTXVAUIBUFWRCW-UHFFFAOYSA-N
XLogP4.11
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119698131
N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide
CID 78832475
3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
CID 24575103
5-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 51100585
2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
4-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 18166113
methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate
CID 86994732
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111679312
3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 33313345
1-(2-methoxyethyl)-2-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 110940049

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
The IUPAC name of 3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide (CID 30338040) is 3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide is COc1cc(Br)c(OC)c(C(=O)NCc2coc(-c3cccs3)n2)c1.
What is the InChIKey of 3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
The InChIKey is DTXVAUIBUFWRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O4S/c1-22-11-6-12(15(23-2)13(18)7-11)16(21)19-8-10-9-24-17(20-10)14-4-3-5-25-14/h3-7,9H,8H2,1-2H3,(H,19,21).
What are the key properties of 3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide has a molecular weight of 423.29 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 30338040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).